Ketcher 07061615452D 1   1.00000     0.00000     0

 16 17  0     0  0            999 V2000
   11.4826  -29.2152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4826  -30.2158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3494  -30.7162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6162  -30.7162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7496  -30.2158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7496  -29.2152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6162  -28.7148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6162  -27.7143    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7496  -27.2140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7496  -26.2133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6162  -25.7130    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4826  -26.2133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4826  -27.2140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3494  -31.7162    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.2154  -30.2162    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.2154  -31.2162    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0     0  0
  2  3  1  0     0  0
  2  4  1  0     0  0
  4  5  2  0     0  0
  5  6  1  0     0  0
  6  7  2  0     0  0
  1  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
 10 11  1  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
  8 13  1  0     0  0
  3 14  1  0     0  0
  3 15  1  0     0  0
  3 16  1  0     0  0
M  END
> <ID>
CHEBI:83536

> <NAME>
1-(3-(trifluoromethyl)phenyl)piperazine

> <DEFINITION>
A N-arylpiperazine that is piperazine substituted by a 3-(trifluoromethyl)phenyl group at position 1. A serotonergic agonist used as a recreational drug.

> <STAR>
3

> <SYNONYM>
TFMPP; N-(alpha,alpha,alpha-trifluoro-3-tolyl)piperazine; 3-trifluoromethylphenylpiperazine; 1-(m-trifluoromethylphenyl)piperazine

> <IUPAC_NAME>
1-[3-(trifluoromethyl)phenyl]piperazine

> <FORMULA>
C11H13F3N2

> <MASS>
230.230

> <MONOISOTOPIC_MASS>
230.10308

> <CHARGE>
0

> <SMILES>
C1=C(C(F)(F)F)C=CC=C1N2CCNCC2

> <INCHI>
InChI=1S/C11H13F3N2/c12-11(13,14)9-2-1-3-10(8-9)16-6-4-15-5-7-16/h1-3,8,15H,4-7H2

> <INCHIKEY>
KKIMDKMETPPURN-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
15532-75-9

> <REAXYS_REGISTRY_NUMBER>
614217

> <CHEMIDPLUS>
15532-75-9

> <LINCS_ACCESSION>
LSM-24939

> <NIST_CHEMISTRY_WEBBOOK>
15532-75-9

> <WIKIPEDIA_ACCESSION>
Trifluoromethylphenylpiperazine

> <PUBMED_CITATION>
23890650; 24547667; 24810679; 24968061

$$$$